SCHEMBL10148079

SCHEMBL10148079

C=C1[C@@H](OC(C)=O)[C@H](C(C)(C)C)O[C@@H]1COC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10147727 0.92 CHRNB2 (0.39) ALDH1A1MAPK1HIF1ATRPM8CHRNB2
SCHEMBL12112034 0.86 TRPM8 (0.41) ALDH1A1TRPM8CHRNB2CHRNA5CHRNA7
SCHEMBL12112089 0.86 TRPM8 (0.41) ALDH1A1MAPK1HIF1ATRPM8CHRNB2
SCHEMBL6974096 0.78 TRPM8 (0.40) ALDH1A1MAPK1HIF1ATRPM8CHRNB2
SCHEMBL27195261 0.72 TDP1 (0.42) ALDH1A1MAPK1HIF1ACHRNB2CHRNA5
SCHEMBL22915735 0.71 ALDH1A1 (0.59) ALDH1A1MAPK1HIF1ACHRNB2CHRNA5
SCHEMBL11171908 0.71 TSHR (0.63) ALDH1A1MAPK1LMNATSHRPTPN1
Acetic Acid SCHEMBL30812592 0.71 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATRPM8CHRNB2
SCHEMBL10147760 0.70 NPC1 (0.45) ALDH1A1MAPK1HIF1ACHRNB2CHRNA5
SCHEMBL10147728 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1HIF1ACHRNB2CHRNA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-8097718-B2 3,5-disubstituted and 3,5,7-trisubstituted-3H-oxazolo and 3H-thiazolo[4,5-d]pyrimidin-2-one compounds and prodrugs thereof ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2011-11-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275589-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-d]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 ALDH1A1 340/4885MAPK1 3969/4885HIF1A 1755/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.